4-(2-pyridin-2-ylpiperidine-1-carbonyl)benzenesulfonamide

C17H19N3O3S — CID 77093447

IUPAC4-(2-pyridin-2-ylpiperidine-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCCCC2c2ccccn2)cc1
InChIInChI=1S/C17H19N3O3S/c18-24(22,23)14-9-7-13(8-10-14)17(21)20-12-4-2-6-16(20)15-5-1-3-11-19-15/h1,3,5,7-11,16H,2,4,6,12H2,(H2,18,22,23)
InChIKeyPOIOCAYOWVMXGP-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.10
Rot. Bonds3

About 4-(2-pyridin-2-ylpiperidine-1-carbonyl)benzenesulfonamide

4-(2-pyridin-2-ylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 77093447) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 4-(2-pyridin-2-ylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-pyridin-2-ylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID77093447
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name4-(2-pyridin-2-ylpiperidine-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCCCC2c2ccccn2)cc1
InChIInChI=1S/C17H19N3O3S/c18-24(22,23)14-9-7-13(8-10-14)17(21)20-12-4-2-6-16(20)15-5-1-3-11-19-15/h1,3,5,7-11,16H,2,4,6,12H2,(H2,18,22,23)
InChIKeyPOIOCAYOWVMXGP-UHFFFAOYSA-N
XLogP2.10
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzodioxol-5-yl-(2-pyridin-2-ylpiperidin-1-yl)methanone
CID 70759267
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 97144676
(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 95894350
(3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 47380034
[4-(1,3-oxazol-5-yl)phenyl]-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94616600
(3-amino-4-chloro-1H-pyrazol-5-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone
CID 77084225
(5-methyl-1,3-oxazol-4-yl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 95871537
6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 95871248
[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 94810217
[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 95199255
cyclobutyl-[4-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97113868
4-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]-2H-phthalazin-1-one
CID 99953113

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-2-ylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-(2-pyridin-2-ylpiperidine-1-carbonyl)benzenesulfonamide (CID 77093447) is 4-(2-pyridin-2-ylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-pyridin-2-ylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-(2-pyridin-2-ylpiperidine-1-carbonyl)benzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)N2CCCCC2c2ccccn2)cc1.
What is the InChIKey of 4-(2-pyridin-2-ylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is POIOCAYOWVMXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c18-24(22,23)14-9-7-13(8-10-14)17(21)20-12-4-2-6-16(20)15-5-1-3-11-19-15/h1,3,5,7-11,16H,2,4,6,12H2,(H2,18,22,23).
What are the key properties of 4-(2-pyridin-2-ylpiperidine-1-carbonyl)benzenesulfonamide?
4-(2-pyridin-2-ylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 345.42 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-2-ylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 77093447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).